Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt

Basic Information

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CAS Number

28631-66-5

Molecular Formula

C32H25N3Na2O9S3

Molecular Weight

737.7 g/mol

EINECS

249-113-9

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Dark brown-purple crystal with metal luster

Melting Point

No data available

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

InChIKey

XOSXWYQMOYSSKB-UHFFFAOYSA-L

LogP

8.97290

Complexity

1520

Synonyms & References

English

28631-66-5
Aniline Blue
MFCD00036130
C.I. Acid Blue 22
ANILINE BLUE SOLUTION
8004-91-9
Acid Blue 22
Aniline Blue (C.I. 42755)
AKOS016372187
CI 42755
disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Sodium 2-amino-3-methyl-5-((Z)-((Z)-4-((4-sulfonatophenyl)imino)cyclohexa-2,5-dien-1-ylidene)(4-((4-sulfophenyl)amino)phenyl)methyl)benzenesulfonate
F82965
sodium 2-amino-3-methyl-5-((E)-((E)-4-(4-sulfonatophenylimino)cyclohexa-2,5-dienylidene)(4-(4-sulfophenylamino)phenyl)methyl)benzenesulfonate
Aniline Blue (spirit soluble) ,
MARINE BLUE V
disodium hydrogen aminomethyl[[4-[(sulphonatophenyl)amino]phenyl][4-[(sulphonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulphonate
2R
ANILINE BLUE WATER-SOLUBLE FOR MICROSCOP Y
ANILINE BLUE, WATER SOLUBLE, CI 42755
Aniline Blue, sodium salt, water soluble, high purity biological stain, pure
Benzenesulfonic acid, aminomethyl4-(sulfophenyl)aminophenyl4-(sulfophenyl)imino-2,5-cyclohexadien-1-ylidenemethyl-, disodium salt
Acid blue 22 (C.I. 42755)
CI ACID BLUE 22
CI NO 42755
CI NO 42780
CHINA BLUE
COTTON BLUE
INK BLUE
Aniline Blue, sodium salt
Aniline Blue solution

MDL Number

MFCD00036130

EC Number

249-113-9

Customs Code

32041200

FAQ

What are the physical and chemical properties of Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt (CAS: 28631-66-5)?

Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt is a crystalline compound with a molecular weight of approximately 663.7 g/mol. It has a low solubility in water and is highly reactive towards nucleophiles. This compound is often used in organic synthesis due to its reactivity and unique structure.

How is Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt (CAS: 28631-66-5) typically synthesized?

Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt can be synthesized through multi-step processes involving coupling reactions and condensation reactions. Common catalysts include Lewis acids and organometallic compounds. The yield and selectivity depend on the reaction conditions and choice of reagents.

What industries use Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt (CAS: 28631-66-5)?

Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt is primarily used in the pharmaceutical and polymer industries due to its unique chemical structure. It is also applicable in sensor technology and semiconductor manufacturing for its specific reactivity and functional groups.

What precautions should be taken when handling Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt (CAS: 28631-66-5)?

When handling Benzenesulfonic acid,aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt, use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure adequate ventilation and handle in a fume hood. Store the compound at room temperature away from heat and direct sunlight. In case of a spill, consult the material safety data sheet (MSDS) for specific spill cleanup procedures.